4-(1-Phenylethyl)-2,6-ditert-butyl-phenol
TL;DR: 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol (CAS 17540-76-0) is a chemical compound with molecular formula C22H30O and molecular weight 310.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-ditert-butyl-4-(1-phenylethyl)phenol
Also Known As: 4-(1-phenylethyl)-2,6-ditert-butyl-phenol, 2,6-ditert-butyl-4-(1-phenylethyl)phenol, 2,6-Di-tert-butyl-4-(1-phenylethyl)phenol, 2,6-Di-t-butyl-4-(alpha-methylbenzyl)phenol, 2,6-Di-t-butyl-4-(alpha-methylbenzyl) phenol
| Molecular Formula | C22H30O |
|---|---|
| Molecular Weight | 310.23 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 310.22968 |
| Heavy Atoms | 23 |
| Complexity | 342.0 |
Chemical Identifiers
| CAS Number | 17540-76-0 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)C2=CC(=C(C(=C2)C(C)(C)C)O)C(C)(C)C |
| InChIKey | QAIIXGKSSGKVOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(1-Phenylethyl)-2,6-ditert-butyl-phenol (CAS 17540-76-0), with molecular formula C22H30O and molecular weight 310.23 g/mol. IUPAC: 2,6-ditert-butyl-4-(1-phenylethyl)phenol.
Chemical Property Profile of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol
Property Insights of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol
The XLogP value of 7.2 indicates that 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol?
The CAS number of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol is 17540-76-0.
What is the molecular formula of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol?
The molecular formula of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol is C22H30O.
What is the molecular weight of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol?
The molecular weight of 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol is 310.23 g/mol.
Where can I buy 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol?
You can request a quote for 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol?
Yes, KEHONG BIO provides custom synthesis services for 4-(1-Phenylethyl)-2,6-ditert-butyl-phenol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.